Receptor
PDB id Resolution Class Description Source Keywords
1YMT 1.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE MOUSE SF-1 LBD MUS MUSCULUS NUCLEAR RECEPTOR SF-1 LIGAND-BINDING DOMAIN LIGAND PHOSPHATIDYL GLYCEROL CO-REPRESSOR PEPTIDE TRANSCRIPTION
Ref.: STRUCTURAL ANALYSES REVEAL PHOSPHATIDYL INOSITOLS AS LIGANDS FOR THE NR5 ORPHAN RECEPTORS SF-1 AND LRH-1 CELL(CAMBRIDGE,MASS.) V. 120 343 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DR9 A:500;
 Valid;
 none;
 submit data
746.991 C40 H75 O10 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YMT 1.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE MOUSE SF-1 LBD MUS MUSCULUS NUCLEAR RECEPTOR SF-1 LIGAND-BINDING DOMAIN LIGAND PHOSPHATIDYL GLYCEROL CO-REPRESSOR PEPTIDE TRANSCRIPTION
Ref.: STRUCTURAL ANALYSES REVEAL PHOSPHATIDYL INOSITOLS AS LIGANDS FOR THE NR5 ORPHAN RECEPTORS SF-1 AND LRH-1 CELL(CAMBRIDGE,MASS.) V. 120 343 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 1YMT - DR9 C40 H75 O10 P CCCCCCCCC=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 1YMT - DR9 C40 H75 O10 P CCCCCCCCC=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 1YUC - EPH C39 H68 N O8 P CCCC=CCC=C....
2 1YMT - DR9 C40 H75 O10 P CCCCCCCCC=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DR9; Similar ligands found: 118
No: Ligand ECFP6 Tc MDL keys Tc
1 DR9 1 1
2 PGV 1 1
3 PGW 0.985507 1
4 D3D 0.985507 1
5 OZ2 0.971831 1
6 P6L 0.957747 1
7 PGT 0.855072 0.977778
8 LHG 0.855072 0.977778
9 RXY 0.779221 0.830189
10 L9Q 0.766234 0.830189
11 LOP 0.766234 0.830189
12 6OU 0.766234 0.830189
13 P50 0.75 0.826923
14 CD4 0.75 0.933333
15 ZPE 0.746835 0.830189
16 44G 0.746479 0.977778
17 PCW 0.7375 0.706897
18 PGK 0.7375 0.916667
19 P3A 0.731707 0.956522
20 D21 0.72973 0.913043
21 DGG 0.710843 0.916667
22 B7N 0.678571 0.843137
23 CN3 0.675 0.933333
24 GP7 0.674419 0.830189
25 PSC 0.659091 0.706897
26 CN6 0.65 0.933333
27 PEH 0.649351 0.811321
28 PEV 0.649351 0.811321
29 PTY 0.649351 0.811321
30 3PE 0.649351 0.811321
31 8PE 0.649351 0.811321
32 PEF 0.649351 0.811321
33 P5S 0.64557 0.826923
34 PEE 0.641026 0.796296
35 9PE 0.641026 0.811321
36 8SP 0.632911 0.826923
37 PEK 0.632184 0.830189
38 PX4 0.625 0.689655
39 HGP 0.625 0.689655
40 PLD 0.625 0.689655
41 PC7 0.625 0.689655
42 LIO 0.625 0.689655
43 6PL 0.625 0.689655
44 HGX 0.625 0.689655
45 PG8 0.620253 0.934783
46 PIE 0.613636 0.788462
47 F57 0.608108 0.891304
48 LPP 0.608108 0.891304
49 7PH 0.608108 0.891304
50 3PH 0.608108 0.891304
51 6PH 0.608108 0.891304
52 7P9 0.6 0.891304
53 PX2 0.6 0.869565
54 PX8 0.6 0.869565
55 S12 0.595238 0.826923
56 LBN 0.590909 0.666667
57 L9R 0.590909 0.666667
58 POV 0.590909 0.666667
59 EPH 0.589474 0.830189
60 MVC 0.589041 0.733333
61 OLC 0.589041 0.733333
62 OLB 0.589041 0.733333
63 PA8 0.586667 0.869565
64 AGA 0.585366 0.934783
65 XP5 0.580247 0.689655
66 PII 0.571429 0.823529
67 42H 0.569767 0.741379
68 CDL 0.567901 0.847826
69 PD7 0.56 0.891304
70 3TF 0.55914 0.618182
71 T7X 0.557895 0.843137
72 NKP 0.556962 0.913043
73 PSF 0.555556 0.826923
74 78N 0.554054 0.733333
75 78M 0.554054 0.733333
76 PIZ 0.550562 0.788462
77 PCK 0.549451 0.655738
78 1O2 0.548387 0.618182
79 TGL 0.542857 0.644444
80 M7U 0.542169 0.891304
81 1WV 0.540541 0.733333
82 PIF 0.54023 0.807692
83 IP9 0.539326 0.788462
84 HXG 0.536585 0.689655
85 PIO 0.522222 0.807692
86 52N 0.522222 0.807692
87 1EM 0.513514 0.688889
88 DDR 0.513514 0.688889
89 DGA 0.513514 0.688889
90 L2C 0.513514 0.688889
91 FAW 0.513514 0.688889
92 44E 0.513158 0.891304
93 DLP 0.510417 0.666667
94 1L2 0.504951 0.618182
95 MC3 0.488636 0.649123
96 PCF 0.488636 0.649123
97 PC1 0.488636 0.649123
98 PDK 0.485437 0.704918
99 BQ9 0.482759 0.711111
100 LPX 0.481928 0.792453
101 GGD 0.481132 0.625
102 LBR 0.469136 0.638298
103 1QW 0.465753 0.711111
104 GYM 0.465753 0.711111
105 EKG 0.465753 0.711111
106 LPC 0.465116 0.724138
107 LAP 0.465116 0.724138
108 K6G 0.465116 0.724138
109 LP3 0.465116 0.724138
110 PGM 0.457831 0.913043
111 NKN 0.443038 0.891304
112 NKO 0.443038 0.891304
113 SQD 0.43299 0.630769
114 2JT 0.430556 0.652174
115 G2A 0.430556 0.652174
116 CN5 0.426966 0.913043
117 DGD 0.421569 0.607143
118 OPC 0.405941 0.694915
Similar Ligands (3D)
Ligand no: 1; Ligand: DR9; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YMT; Ligand: DR9; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1ymt.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback